1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

C16H15ClFN5O2 — CID 19268702

IUPAC1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCn1cc(CNC(=O)c2ccn(COc3ccc(F)c(Cl)c3)n2)cn1
InChIInChI=1S/C16H15ClFN5O2/c1-22-9-11(8-20-22)7-19-16(24)15-4-5-23(21-15)10-25-12-2-3-14(18)13(17)6-12/h2-6,8-9H,7,10H2,1H3,(H,19,24)
InChIKeyDQKWGGAMIKQQNR-UHFFFAOYSA-N
MW363.78 g/mol
LogP2.38
Rot. Bonds6

About 1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide

1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19268702) has the molecular formula C16H15ClFN5O2 and a molecular weight of 363.78 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
PubChem CID19268702
Molecular FormulaC16H15ClFN5O2
Molecular Weight363.78 g/mol
Exact Mass363.09
IUPAC Name1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
SMILESCn1cc(CNC(=O)c2ccn(COc3ccc(F)c(Cl)c3)n2)cn1
InChIInChI=1S/C16H15ClFN5O2/c1-22-9-11(8-20-22)7-19-16(24)15-4-5-23(21-15)10-25-12-2-3-14(18)13(17)6-12/h2-6,8-9H,7,10H2,1H3,(H,19,24)
InChIKeyDQKWGGAMIKQQNR-UHFFFAOYSA-N
XLogP2.38
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19275315
N-[(1-methylpyrazol-4-yl)methyl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 4776957
1-[(2,4-difluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19279936
1-[(3-chloro-4-fluorophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
CID 19268893
1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)pyrazole-3-carboxamide
CID 19268693
1-[(3-chloro-4-fluorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 7017307
1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278482
1-[(3-chloro-4-fluorophenoxy)methyl]-N-pyridin-3-ylpyrazole-3-carboxamide
CID 4774955
1-[(3-chloro-4-fluorophenoxy)methyl]-N-(1-methylbenzimidazol-2-yl)pyrazole-3-carboxamide
CID 19272608
4-[[1-[(2-chloro-5-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19275776
1-[(2,4-difluorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19279923
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19296577

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide (CID 19268702) is 1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is Cn1cc(CNC(=O)c2ccn(COc3ccc(F)c(Cl)c3)n2)cn1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is DQKWGGAMIKQQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5O2/c1-22-9-11(8-20-22)7-19-16(24)15-4-5-23(21-15)10-25-12-2-3-14(18)13(17)6-12/h2-6,8-9H,7,10H2,1H3,(H,19,24).
What are the key properties of 1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide?
1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 363.78 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19268702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).